Compounds

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ALA2311989
Name:
2,7-bis(2-(dimethylamino)ethoxy)-9H-thioxanthen-9-one
Mol. Formula:
C21H26N2O3S
M.W.:
386.52
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.30
Polar Surface Area:
42.01
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2311988
Name:
2,7-bis(2-aminoethoxy)-9H-thioxanthen-9-one
Mol. Formula:
C17H18N2O3S
M.W.:
330.41
5 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
87.57
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2311987
Name:
2,7-bis(2-(dimethylamino)ethoxy)-9H-xanthen-9-one
Mol. Formula:
C21H26N2O4
M.W.:
370.45
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
55.15
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA2311986
Name:
2,7-bis(1-aminopropan-2-yloxy)-9H-xanthen-9-one
Mol. Formula:
C19H22N2O4
M.W.:
342.40
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
100.71
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2311985
Name:
2,7-bis(6-aminohexyloxy)-9H-xanthen-9-one
Mol. Formula:
C25H34N2O4
M.W.:
426.56
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
100.71
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2311984
Name:
2,7-bis(2-aminoethoxy)-9H-xanthen-9-one
Mol. Formula:
C17H18N2O4
M.W.:
314.34
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.62
Polar Surface Area:
100.71
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE